SCHEMBL17494367

SCHEMBL17494367

Cc1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)cc2c(OS(=O)(=O)C(F)(F)F)cc(=O)n(C3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.39
SCN5A Q14524 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
BRD4 O60885 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17494369 1.00 KCNH2 (0.39) KCNH2SCN5ATRPV1ALOX5APFEN1
SCHEMBL17494334 0.91 CTSK (0.38) TRPV1ALOX5APFEN1BRD4PIM1
SCHEMBL17494434 0.87 KCNH2 (0.38) KCNH2
SCHEMBL17494431 0.87 KCNH2 (0.38) KCNH2
SCHEMBL17494355 0.87 KCNH2 (0.43) KCNH2SCN5A
SCHEMBL17494357 0.87 KCNH2 (0.43) KCNH2SCN5A
SCHEMBL19200959 0.86 KCNH2 (0.43) KCNH2SCN5APIM1PIM3PIM2
SCHEMBL17494505 0.83 CDK4 (0.39) KCNH2
SCHEMBL19194888 0.83 KCNH2 (0.44) KCNH2SCN5A
SCHEMBL19200461 0.83 KCNH2 (0.43) KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160726-B2 Quinolone derivatives as antibacterials NOVARTIS AG (CH) 2018-12-25 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A KCNH2 3467/4885SCN5A 1288/4885TRPV1 4423/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A KCNH2 3467/4885SCN5A 1288/4885TRPV1 4423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.